Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only
Online Services

I-TASSER I-TASSER-MTD C-I-TASSER CR-I-TASSER QUARK C-QUARK LOMETS MUSTER CEthreader SEGMER DeepFold DeepFoldRNA FoldDesign COFACTOR COACH MetaGO TripletGO IonCom FG-MD ModRefiner REMO DEMO DEMO-EM SPRING COTH Threpp PEPPI BSpred ANGLOR EDock BSP-SLIM SAXSTER FUpred ThreaDom ThreaDomEx EvoDesign BindProf BindProfX SSIPe GPCR-I-TASSER MAGELLAN ResQ STRUM DAMpred

TM-score TM-align US-align MM-align RNA-align NW-align LS-align EDTSurf MVP MVP-Fit SPICKER HAAD PSSpred 3DRobot MR-REX I-TASSER-MR SVMSEQ NeBcon ResPRE TripletRes DeepPotential WDL-RF ATPbind DockRMSD DeepMSA FASPR EM-Refiner GPU-I-TASSER

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB ADDRESS Alpaca-Antibody CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13 CASP14

You can:

Ligand

NameCHEMBL3262652
Molecular formulaC20H18ClF3N6O
IUPAC nameN-[7-[5-chloro-4-(3,5-dimethylpyridin-2-yl)pyridin-2-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-2,2,2-trifluoroacetamide
Molecular weight450.85
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP3.2
SynonymsBDBM50013273
N-(7-(5'-chloro-3,5-dimethyl-2,4'-bipyridin-2'-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-2-yl)-2,2,2-trifluoroacetamide
SCHEMBL15882072
AFXGOPWFLDYHAG-UHFFFAOYSA-N
Inchi KeyAFXGOPWFLDYHAG-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H18ClF3N6O/c1-11-5-12(2)18(26-7-11)13-6-16(25-8-14(13)21)30-4-3-29-9-15(27-17(29)10-30)28-19(31)20(22,23)24/h5-9H,3-4,10H2,1-2H3,(H,28,31)
PubChem CID90286184
ChEMBLCHEMBL3262652
IUPHARN/A
BindingDB50013273
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
4587Smoothened homologQ99835SMOHomo sapiens (Human)787

yangzhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218